Papers by Keyword: Structural Unit Model

Abstract: The preferential sites for vacancies on a series of symmetric tilt grain boundaries in copper have been investigated by molecular dynamics simulation. The regularity of preferential sites for vacancies on these boundaries can be described by the structural unit model. This is essential because of the correspondence between the geometries of the structural units and the local stress field. The vacancies are energetically preferred at the sites with relatively large tensile stress, and these sites are the corner sites of the structural units. Moreover, these preferential sites are mainly related to the structural unit types irrespective of which grain boundary that the structure units locate in. Therefore, the preferential sites for vacancies on various grain boundaries formed by combinations of certain structural units can be readily described and predicted by the structural unit model.

Abstract: Grain boundary structures in the Accumulative roll-bonding (ARB) processed copper (ARB-Cu) have been studied. The grain boundary structures were observed by high-resolution transmission electron microscopy (HRTEM). In order to clarify the difference between the grain boundaries in ARB-Cu and equilibrium boundaries, calculated atomic structure of symmetric tilt grain boundaries with <110> common axis (<110> symmetric tilt grain boundary; <110> STGB) in Cu were used. The near 14° boundary in the ARB-Cu could be described by the dislocation model, but the dense dislocation region existed near the grain boundary. The high angle boundaries in ARB-Cu could be described by the structural units which were obtained by molecular dynamics (MD) simulation. Furthermore, in the 2 cycles and 6 cycles ARB-Cu (2cARB-Cu and 6cARB-Cu), the deformation twin boundaries could be observed and described by the structural unit. Therefore, it was concluded that the grain boundary structure in the ARB-Cu was not much different from the normal equilibrium grain boundary and explained by conventional dislocation and structural unit models.